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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1293",
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"results": [
{
"id": "jvasp-112738",
"created_at": "2022-09-04T14:38:43.296675Z",
"updated_at": "2022-09-04T14:38:43.296703Z",
"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n8.132840 0.060411 2.179853\n5.986331 5.505503 2.179853\n-0.018377 -0.007244 5.560253\nCa Al Sb O\n4 2 2 10\ndirect\n0.645747 0.104402 0.822187 Ca\n0.893774 0.343385 0.606187 Ca\n0.343385 0.893774 0.106187 Ca\n0.104401 0.645747 0.322187 Ca\n0.303229 0.678109 0.739903 Al\n0.678109 0.303230 0.239903 Al\n0.487107 0.017204 0.461398 Sb\n0.017203 0.487108 0.961398 Sb\n0.283320 0.331790 0.624348 O\n0.641873 0.834793 0.808480 O\n0.950142 0.183806 0.288640 O\n0.052433 0.721701 0.859446 O\n0.434756 0.570524 0.427381 O\n0.721701 0.052434 0.359446 O\n0.570523 0.434757 0.927380 O\n0.331790 0.283321 0.124348 O\n0.183806 0.950142 0.788640 O\n0.834793 0.641874 0.308480 O\n",
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{
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"structure_string": "Na2 Mn2 O4\n1.0\n2.870874 -0.000000 0.000000\n0.000000 4.859590 0.000000\n-0.000000 -0.000000 6.305443\nNa Mn O\n2 2 4\ndirect\n0.250001 0.249999 0.125053 Na\n0.749998 0.749999 0.874945 Na\n0.250001 0.249999 0.626162 Mn\n0.749998 0.749999 0.373839 Mn\n0.749998 0.249999 0.418499 O\n0.250001 0.749999 0.581500 O\n0.749998 0.249999 0.830372 O\n0.250001 0.749999 0.169628 O\n",
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"volume": 87.96894143023398,
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"formula_full": "Na2 Mn2 O4",
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{
"id": "jvasp-115440",
"created_at": "2022-09-04T14:38:42.180321Z",
"updated_at": "2022-09-04T14:38:42.180339Z",
"structure_string": "Rb1 As1 Se2\n1.0\n4.039453 -0.000000 0.000000\n-0.000000 4.039453 0.000000\n-0.000000 -0.000000 7.805486\nRb As Se\n1 1 2\ndirect\n0.499999 0.499999 0.433022 Rb\n0.000000 0.000000 0.936047 As\n0.000000 0.000000 0.641132 Se\n0.499999 0.499999 0.999801 Se\n",
"nsites": 4,
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],
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"volume": 127.36352425826828,
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"spacegroup": 99
},
{
"id": "jvasp-10133",
"created_at": "2022-09-04T14:36:51.412821Z",
"updated_at": "2022-09-04T14:36:51.412848Z",
"structure_string": "Rb4 Cu4 O4\n1.0\n5.344051 -0.000000 2.301904\n2.672025 6.736992 1.150953\n0.006855 -0.000000 7.338353\nRb Cu O\n4 4 4\ndirect\n0.500000 0.304770 0.695229 Rb\n0.804770 0.695229 0.695229 Rb\n0.500000 0.695229 0.304770 Rb\n0.195230 0.304770 0.304770 Rb\n0.137320 0.725361 -0.000001 Cu\n0.862681 0.274639 -0.000001 Cu\n0.137319 0.000000 0.725361 Cu\n0.862680 0.000000 0.274639 Cu\n0.726396 0.273604 0.273603 O\n-0.000000 0.273604 0.726396 O\n0.000001 0.726396 0.273603 O\n0.273604 0.726396 0.726395 O\n",
"nsites": 12,
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],
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"density": 4.15018381741959,
"density_atomic": 0.04543816701393334,
"volume": 264.0951602717661,
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},
{
"id": "jvasp-11461",
"created_at": "2022-09-04T14:37:28.951981Z",
"updated_at": "2022-09-04T14:37:28.952001Z",
"structure_string": "Rb4 Cu4 Sn2 S8\n1.0\n5.253833 0.000000 1.628506\n2.168148 8.831089 2.294316\n-0.027559 -0.067331 9.378038\nRb Cu Sn S\n4 4 2 8\ndirect\n0.228506 0.376104 0.623896 Rb\n0.728505 0.123896 0.876105 Rb\n0.271494 0.876104 0.123896 Rb\n0.771494 0.623896 0.376105 Rb\n0.250000 0.031457 0.468543 Cu\n0.750000 0.531457 0.968544 Cu\n0.750000 0.968543 0.531458 Cu\n0.250000 0.468543 0.031457 Cu\n0.750000 0.250000 0.250001 Sn\n0.250000 0.750000 0.750001 Sn\n0.415061 0.485655 0.223583 S\n0.624298 0.014345 0.276418 S\n0.875701 0.223582 0.485656 S\n0.084939 0.276418 0.014345 S\n0.375701 0.985655 0.723583 S\n0.584939 0.514345 0.776418 S\n0.124299 0.776418 0.514345 S\n0.915061 0.723583 0.985656 S\n",
"nsites": 18,
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],
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"density_atomic": 0.04127648308083358,
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"formula_full": "Rb4 Cu4 Sn2 S8",
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"formula_anonymous": "AB2C2D4",
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{
"id": "jvasp-24951",
"created_at": "2022-09-04T14:38:30.798672Z",
"updated_at": "2022-09-04T14:38:30.798687Z",
"structure_string": "Rb2 Na1 Fe1 F6\n1.0\n5.113146 -0.000000 2.952076\n1.704382 4.820720 2.952076\n0.000000 0.000000 5.904153\nRb Na Fe F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Fe\n0.226228 0.773771 0.773772 F\n0.226228 0.773771 0.226229 F\n0.773772 0.226229 0.773771 F\n0.226229 0.226229 0.773771 F\n0.773772 0.226229 0.226229 F\n0.773772 0.773771 0.226229 F\n",
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"Fe",
"F"
],
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"density_atomic": 0.06871353566582634,
"volume": 145.53173407686182,
"volume_molar": 8.764125876577506,
"formula_full": "Rb2 Na1 Fe1 F6",
"formula_reduced": "Rb2NaFeF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
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{
"id": "jvasp-45373",
"created_at": "2022-09-04T14:37:14.219996Z",
"updated_at": "2022-09-04T14:37:14.220018Z",
"structure_string": "Ba4 Mg2 Si4 O14\n1.0\n8.271139 0.000000 0.000000\n0.000000 8.271139 0.000000\n0.000000 -0.000000 5.463503\nBa Mg Si O\n4 2 4 14\ndirect\n0.664424 0.164424 0.509623 Ba\n0.835576 0.664424 0.490377 Ba\n0.164424 0.335576 0.490377 Ba\n0.335576 0.835576 0.509623 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.862643 0.362642 0.955492 Si\n0.137358 0.637358 0.955492 Si\n0.637358 0.862643 0.044507 Si\n0.362642 0.137358 0.044507 Si\n0.000000 0.500000 0.860429 O\n0.500000 0.000000 0.139571 O\n0.640225 0.859775 0.747484 O\n0.859775 0.359775 0.252516 O\n0.077531 0.806304 0.822182 O\n0.193697 0.077531 0.177817 O\n0.306303 0.577531 0.822182 O\n0.922469 0.193697 0.822182 O\n0.577531 0.693697 0.177817 O\n0.422469 0.306303 0.177817 O\n0.140225 0.640225 0.252516 O\n0.693697 0.422469 0.822182 O\n0.806304 0.922469 0.177817 O\n0.359775 0.140225 0.747484 O\n",
"nsites": 24,
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],
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"formula_full": "Ba4 Mg2 Si4 O14",
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{
"id": "jvasp-30563",
"created_at": "2022-09-04T14:37:13.632052Z",
"updated_at": "2022-09-04T14:37:13.632063Z",
"structure_string": "V2 O4\n1.0\n-2.515678 -1.439225 0.212202\n0.001184 2.883001 -0.425587\n0.000625 1.399998 -9.359071\nV O\n2 4\ndirect\n0.166902 0.103074 0.502198 V\n-0.168690 -0.063879 0.002100 V\n0.830654 0.509055 0.393249 O\n0.494697 0.135905 0.110833 O\n0.499416 0.637703 0.610875 O\n0.163706 0.676582 0.893204 O\n",
"nsites": 6,
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"elements": [
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],
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"volume": 66.3640650344202,
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"formula_full": "V2 O4",
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},
{
"id": "jvasp-94374",
"created_at": "2022-09-04T14:36:01.052923Z",
"updated_at": "2022-09-04T14:36:01.052947Z",
"structure_string": "Mg1 Ti5\n1.0\n5.094456 -0.000000 -0.000000\n-2.547228 4.411929 0.000000\n0.000000 0.000000 4.692683\nMg Ti\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.662080 0.000000 0.000000 Ti\n-0.000000 0.662079 0.000000 Ti\n0.337921 0.337921 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n",
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},
{
"id": "jvasp-61333",
"created_at": "2022-09-04T14:35:56.537009Z",
"updated_at": "2022-09-04T14:35:56.537039Z",
"structure_string": "Sc6 Al16 Ni7\n1.0\n0.000000 6.059521 6.059521\n6.059521 0.000000 6.059521\n6.059521 6.059521 -0.000000\nSc Al Ni\n6 16 7\ndirect\n0.693705 0.306295 0.693705 Sc\n0.693705 0.306295 0.306295 Sc\n0.306295 0.693705 0.693705 Sc\n0.306295 0.306295 0.693705 Sc\n0.693705 0.693705 0.306295 Sc\n0.306295 0.693705 0.306295 Sc\n0.003570 0.665476 0.665476 Al\n0.665476 0.003570 0.665476 Al\n0.665476 0.665476 0.665476 Al\n-0.003570 0.334523 0.334523 Al\n0.119071 0.642788 0.119071 Al\n0.334523 0.334523 0.334523 Al\n0.119071 0.119071 0.119071 Al\n0.119071 0.119071 0.642788 Al\n0.642788 0.119071 0.119071 Al\n0.880929 0.880929 0.880929 Al\n0.334523 0.334523 -0.003570 Al\n0.665476 0.665476 0.003570 Al\n0.880929 0.357212 0.880929 Al\n0.880929 0.880929 0.357212 Al\n0.357212 0.880929 0.880929 Al\n0.334523 -0.003570 0.334523 Al\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:57.886790Z",
"updated_at": "2022-09-04T14:37:57.886812Z",
"structure_string": "K2 Na6 W2 O10\n1.0\n5.759876 0.006016 1.101424\n0.893357 5.690178 1.101424\n0.003676 0.003147 9.081838\nK Na W O\n2 6 2 10\ndirect\n0.749429 0.250572 0.499999 K\n0.250572 0.749429 0.499999 K\n0.648876 0.156822 0.888065 Na\n0.843180 0.351126 0.111934 Na\n0.351126 0.843180 0.111934 Na\n0.190288 0.190288 0.727891 Na\n0.156822 0.648875 0.888065 Na\n0.809713 0.809713 0.272108 Na\n0.308856 0.308856 0.259393 W\n0.691145 0.691145 0.740606 W\n0.902975 0.902974 0.748599 O\n0.254541 0.254541 0.468240 O\n0.745461 0.745461 0.531759 O\n0.444604 0.883543 0.845003 O\n0.097027 0.097027 0.251400 O\n0.477114 0.477114 0.741838 O\n0.883544 0.444604 0.845003 O\n0.116458 0.555397 0.154995 O\n0.522887 0.522887 0.258161 O\n0.555397 0.116458 0.154995 O\n",
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],
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"formula_full": "K2 Na6 W2 O10",
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"spacegroup": 12
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{
"id": "jvasp-30366",
"created_at": "2022-09-04T14:37:05.801061Z",
"updated_at": "2022-09-04T14:37:05.801085Z",
"structure_string": "Fe3 O1 F7\n1.0\n5.500543 -0.102413 0.073126\n2.554241 4.872609 0.073126\n-2.554241 -1.512670 4.632439\nFe O F\n3 1 7\ndirect\n0.382195 0.382195 0.127342 Fe\n0.382195 0.872659 0.617807 Fe\n0.872658 0.382196 0.617807 Fe\n0.605118 0.605119 0.394883 O\n0.132108 0.132108 0.867893 F\n0.129085 0.129086 0.405850 F\n0.129086 0.594151 0.870915 F\n0.157820 0.624088 0.375913 F\n0.594150 0.129086 0.870915 F\n0.624087 0.157821 0.375913 F\n0.624088 0.624089 0.842181 F\n",
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}
]
}